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{
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"structure_string": "Li3 Co1 N6 O12\n1.0\n6.219498 -0.240887 -0.187916\n1.772131 5.966552 -0.187916\n1.772131 1.269658 5.832925\nLi Co N O\n3 1 6 12\ndirect\n0.266852 0.266852 0.266852 Li\n0.500000 0.500000 0.500000 Li\n0.733149 0.733148 0.733148 Li\n0.000000 0.000000 0.000000 Co\n0.206229 0.206229 0.833210 N\n0.206229 0.833209 0.206229 N\n0.166790 0.793771 0.793771 N\n0.833210 0.206229 0.206229 N\n0.793771 0.166790 0.793771 N\n0.793771 0.793770 0.166790 N\n0.935275 0.296520 0.296519 O\n0.703480 0.064725 0.703480 O\n0.703481 0.703480 0.064724 O\n0.378176 0.750632 0.750632 O\n0.621824 0.249367 0.249367 O\n0.249367 0.249367 0.621824 O\n0.296520 0.935275 0.296519 O\n0.064725 0.703480 0.703480 O\n0.249368 0.621824 0.249367 O\n0.750633 0.750632 0.378176 O\n0.296520 0.296520 0.935275 O\n0.750633 0.378176 0.750632 O\n",
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{
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{
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"structure_string": "Y4 Si2 C2 O14\n1.0\n6.500488 -0.004220 0.011294\n-0.311998 6.610234 -0.004002\n-2.969164 -0.785802 5.925357\nY Si C O\n4 2 2 14\ndirect\n0.256512 0.668500 0.188368 Y\n0.251117 0.914203 0.701464 Y\n0.743488 0.331499 0.811632 Y\n0.748884 0.085796 0.298536 Y\n0.262921 0.158601 0.241201 Si\n0.737080 0.841399 0.758800 Si\n0.804903 0.588866 0.267009 C\n0.195098 0.411134 0.732991 C\n0.873447 0.666753 0.907971 O\n0.733905 0.402263 0.165465 O\n0.887575 0.967154 0.658804 O\n0.126553 0.333247 0.092029 O\n0.331875 0.983769 0.087716 O\n0.977368 0.353539 0.621627 O\n0.266095 0.597737 0.834535 O\n0.478694 0.751146 0.561448 O\n0.022633 0.646460 0.378373 O\n0.656017 0.715838 0.250401 O\n0.343984 0.284162 0.749600 O\n0.112425 0.032845 0.341197 O\n0.668125 0.016231 0.912285 O\n0.521307 0.248853 0.438552 O\n",
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{
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"updated_at": "2022-09-04T14:38:15.664471Z",
"structure_string": "Al2 S2 Cl6 O4\n1.0\n6.127764 0.082250 0.044033\n-2.417242 6.812268 -0.116792\n-2.086350 -1.370545 7.341605\nAl S Cl O\n2 2 6 4\ndirect\n0.720386 0.199516 0.844922 Al\n0.279614 0.800484 0.155079 Al\n0.376835 0.748238 0.760836 S\n0.623165 0.251761 0.239164 S\n0.900189 0.722811 0.088615 Cl\n0.063433 0.801359 0.618696 Cl\n0.099810 0.277188 0.911385 Cl\n0.444017 0.657290 0.346931 Cl\n0.936567 0.198640 0.381305 Cl\n0.555983 0.342709 0.653069 Cl\n0.581431 0.932478 0.758601 O\n0.633363 0.231057 0.046223 O\n0.366637 0.768943 0.953778 O\n0.418569 0.067522 0.241400 O\n",
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{
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"created_at": "2022-09-04T14:38:15.666011Z",
"updated_at": "2022-09-04T14:38:15.666038Z",
"structure_string": "Li2 V1 Fe1 O4\n1.0\n3.614329 -0.079945 -3.363860\n-0.738854 3.538906 -3.363860\n0.066459 0.079945 4.937055\nLi V Fe O\n2 1 1 4\ndirect\n0.250001 0.750001 0.500002 Li\n0.500001 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 V\n0.750001 0.250000 0.500001 Fe\n0.505760 0.005760 0.500001 O\n0.237676 0.237675 0.000000 O\n0.994241 0.494240 0.500001 O\n0.762326 0.762324 0.000001 O\n",
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{
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"created_at": "2022-09-04T14:38:27.510073Z",
"updated_at": "2022-09-04T14:38:27.510091Z",
"structure_string": "Li4 V4 O4 F16\n1.0\n5.071488 0.019780 -0.133363\n-0.204619 6.961758 -2.783560\n-0.166650 -0.080659 9.541291\nLi V O F\n4 4 4 16\ndirect\n0.056761 0.611565 0.373957 Li\n0.292330 0.645725 0.764151 Li\n0.016824 0.101269 0.383104 Li\n0.511428 0.145031 0.890676 Li\n0.560037 0.942276 0.496471 V\n0.534777 0.455176 0.477949 V\n0.956400 0.559177 0.004870 V\n0.012362 0.054225 0.006451 V\n0.811259 0.363600 0.410190 O\n0.151700 0.247347 0.001494 O\n0.835030 0.756239 0.002733 O\n0.670229 0.734786 0.490472 O\n0.688531 0.379460 0.914943 F\n0.136639 0.057630 0.189078 F\n0.362283 0.243622 0.484456 F\n0.113049 0.468662 0.820801 F\n0.701693 0.144018 0.086330 F\n0.629519 0.549363 0.678333 F\n0.363547 0.447357 0.305901 F\n0.226432 0.872084 0.404369 F\n0.279293 0.892191 0.909072 F\n0.862379 0.558454 0.189230 F\n0.822875 0.964384 0.824797 F\n0.277893 0.638867 0.090437 F\n0.834586 0.109386 0.579852 F\n0.666311 0.949180 0.320303 F\n0.216403 0.617893 0.563591 F\n0.400740 0.042695 0.673508 F\n",
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{
"id": "jvasp-30489",
"created_at": "2022-09-04T14:38:15.333844Z",
"updated_at": "2022-09-04T14:38:15.333856Z",
"structure_string": "Yb2 H4 Cl2 O4\n1.0\n5.934894 0.000000 0.474850\n0.000000 3.595673 0.000000\n-1.155121 0.000000 6.685278\nYb H Cl O\n2 4 2 4\ndirect\n0.257976 0.250001 0.085539 Yb\n0.742024 0.750000 0.914463 Yb\n0.836043 0.250001 0.242206 H\n0.602750 0.750000 0.315704 H\n0.397251 0.250001 0.684295 H\n0.163955 0.750000 0.757794 H\n0.189234 0.750000 0.417925 Cl\n0.810764 0.250001 0.582075 Cl\n0.870915 0.250001 0.104104 O\n0.509001 0.750000 0.189062 O\n0.490998 0.250001 0.810938 O\n0.129083 0.750000 0.895895 O\n",
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{
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"created_at": "2022-09-04T14:38:12.983898Z",
"updated_at": "2022-09-04T14:38:12.983920Z",
"structure_string": "K4 Al4 Si6 O20\n1.0\n0.000000 0.000000 6.504003\n-8.392941 0.000000 3.252002\n0.000000 -9.087943 3.252002\nK Al Si O\n4 4 6 20\ndirect\n0.744058 0.393216 0.867335 K\n0.004610 0.606784 0.132665 K\n0.887275 0.106784 0.367335 K\n0.361394 0.893216 0.632665 K\n0.298306 0.432743 0.697638 Al\n0.428687 0.567257 0.302362 Al\n0.481049 0.067257 0.197638 Al\n0.745944 0.932743 0.802362 Al\n0.987190 0.715819 0.553590 Si\n0.256600 0.284181 0.446410 Si\n0.453010 0.784181 0.053590 Si\n0.995887 0.000000 0.000000 Si\n0.745887 0.500000 0.500000 Si\n0.290781 0.215819 0.946410 Si\n0.273168 0.202111 0.119369 O\n0.169332 0.864785 0.079630 O\n0.113747 0.135215 0.920370 O\n0.146198 0.628504 0.658311 O\n0.433013 0.371496 0.341689 O\n0.524702 0.871496 0.158311 O\n0.554510 0.128504 0.841688 O\n0.594647 0.797889 0.880631 O\n0.142536 0.702111 0.380631 O\n0.756445 0.087604 0.127704 O\n0.849644 0.901682 0.608679 O\n0.360007 0.098317 0.391320 O\n0.501327 0.598317 0.108679 O\n0.208324 0.401682 0.891320 O\n0.971753 0.912396 0.872296 O\n-0.001038 0.364785 0.420370 O\n0.634149 0.587604 0.372296 O\n0.594049 0.412396 0.627704 O\n0.225279 0.297889 0.619368 O\n0.784116 0.635215 0.579630 O\n",
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{
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"created_at": "2022-09-04T14:38:15.320442Z",
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"structure_string": "Tl4 In4 As8 O28\n1.0\n-7.902956 0.018936 -0.006348\n2.340456 8.342436 0.010934\n-0.009699 -0.250588 -10.567482\nTl In As O\n4 4 8 28\ndirect\n0.315597 0.943346 0.187657 Tl\n0.684404 0.056655 0.812343 Tl\n0.654253 0.539352 0.681530 Tl\n0.345747 0.460649 0.318470 Tl\n0.737215 0.261775 0.406515 In\n0.262785 0.738226 0.593486 In\n0.733531 0.772145 0.101307 In\n0.266470 0.227856 0.898693 In\n0.953288 0.203479 0.133184 As\n0.046713 0.796522 0.866816 As\n0.339386 0.145171 0.569357 As\n0.660615 0.854830 0.430643 As\n0.370155 0.667201 0.899296 As\n0.065759 0.327520 0.643946 As\n0.629846 0.332800 0.100705 As\n0.934241 0.672481 0.356054 As\n0.166842 0.262631 0.085030 O\n0.831544 0.029231 0.065394 O\n0.402193 0.482720 0.881393 O\n0.597808 0.517280 0.118607 O\n0.833158 0.737370 0.914970 O\n0.577022 0.219128 0.233207 O\n0.517165 0.218779 0.977680 O\n0.871107 0.818233 0.455657 O\n0.422979 0.780873 0.766794 O\n0.128893 0.181768 0.544343 O\n0.609946 0.837460 0.273215 O\n0.390054 0.162540 0.726786 O\n0.873251 0.348301 0.586283 O\n0.168456 0.970770 0.934606 O\n0.954155 0.222565 0.294482 O\n0.040900 0.251967 0.793117 O\n0.761642 0.507759 0.366641 O\n0.310142 0.961167 0.500353 O\n0.510520 0.710669 0.509518 O\n0.141592 0.645083 0.929144 O\n0.858408 0.354917 0.070856 O\n0.126749 0.651700 0.413717 O\n0.489480 0.289332 0.490483 O\n0.959101 0.748034 0.206883 O\n0.045845 0.777435 0.705518 O\n0.482836 0.781222 0.022321 O\n0.689858 0.038834 0.499647 O\n0.238358 0.492242 0.633360 O\n",
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{
"id": "jvasp-12547",
"created_at": "2022-09-04T14:38:15.693132Z",
"updated_at": "2022-09-04T14:38:15.693145Z",
"structure_string": "K2 Ba8 Bi6 O2\n1.0\n8.165436 -0.000000 -3.869418\n-1.833630 7.956893 -3.869418\n0.012678 0.015932 10.577016\nK Ba Bi O\n2 8 6 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 -0.000000 K\n0.502228 0.688015 0.690242 Ba\n0.002227 0.502227 0.690242 Ba\n0.188015 0.002227 0.690243 Ba\n0.688015 0.188015 0.690243 Ba\n-0.002227 0.497772 0.309758 Ba\n0.311985 0.811985 0.309758 Ba\n0.497773 0.311985 0.309758 Ba\n0.811985 -0.002227 0.309758 Ba\n0.750000 0.750000 0.500000 Bi\n0.250000 0.250000 0.500000 Bi\n0.378114 0.878114 -0.000000 Bi\n0.878114 0.621886 -0.000000 Bi\n0.621886 0.121886 -0.000000 Bi\n0.121886 0.378114 -0.000000 Bi\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n",
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{
"id": "jvasp-17940",
"created_at": "2022-09-04T14:38:15.312097Z",
"updated_at": "2022-09-04T14:38:15.312108Z",
"structure_string": "Dy3 Mn3 Ga2 Si1\n1.0\n3.516821 -6.091313 0.000000\n3.516821 6.091313 -0.000000\n0.000000 -0.000000 3.941760\nDy Mn Ga Si\n3 3 2 1\ndirect\n0.407886 0.000000 0.500000 Dy\n0.592114 0.592114 0.500000 Dy\n0.000000 0.407886 0.500000 Dy\n0.218326 0.218326 0.000000 Mn\n0.000000 0.781673 0.000000 Mn\n0.781673 0.000000 0.000000 Mn\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666667 0.000000 Ga\n0.000000 0.000000 0.500000 Si\n",
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{
"id": "jvasp-31901",
"created_at": "2022-09-04T14:38:15.703760Z",
"updated_at": "2022-09-04T14:38:15.703801Z",
"structure_string": "Sb1 I3 Br2 Cl6\n1.0\n7.146852 -0.032621 0.857734\n1.059731 7.154389 0.286108\n-0.003664 0.053322 7.707742\nSb I Br Cl\n1 3 2 6\ndirect\n0.000000 0.500000 0.500000 Sb\n0.336375 0.771364 0.825302 I\n0.000000 0.000000 0.000000 I\n0.663625 0.228636 0.174697 I\n0.513408 0.747676 0.093491 Br\n0.486593 0.252324 0.906509 Br\n0.840421 0.218313 0.500056 Cl\n0.903117 0.526845 0.805713 Cl\n0.159579 0.781687 0.499943 Cl\n0.288695 0.298892 0.557616 Cl\n0.711305 0.701108 0.442384 Cl\n0.096884 0.473155 0.194286 Cl\n",
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"volume_molar": 19.789544126932082,
"formula_full": "Sb1 I3 Br2 Cl6",
"formula_reduced": "SbI3(BrCl3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 0.0792881283333333,
"spacegroup": 2
}
]
}